phenethyl 2-[1-[3,5-bis(chloranyl)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[3,5-bis(chloranyl)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-(3,5-dichlorobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3,5-dichlorophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3,5-dichlorobenzoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C21H20Cl2N2O4 MolecularWeight: 435.3005

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O4/c22-16-10-15(11-17(23)12-16)21(28)25-8-7-24-20(27)18(25)13-19(26)29-9-6-14-4-2-1-3-5-14/h1-5,10-12,18H,6-9,13H2,(H,24,27)